Chem
J-GLOBAL ID:201007092270067428
Nikkaji number:J2.791.493D
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16β,17β-diol
3-メトキシ-16-エチルエストラ-1,3,5(10)-トリエン-16β,17β-ジオール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C21 H30 O3
Molecular formula furigana:
C21-H30-O3
Molecular weight:
330.468
InChI:
InChI=1S/C21H30O3/c1-4-21(23)12-18-17-7-5-13-11-14(24-3)6-8-15(13)16(17)9-10-20(18,2)19(21)22/h6,8,11,16-19,22-23H,4-5,7,9-10,12H2,1-3H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChI key:
MIAWQCWOHVVLMH-YQPXSLGVSA-N
SMILES:
CC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O
Systematic name (3):
3-メトキシ-16-エチルエストラ-1,3,5(10)-トリエン-16β,17β-ジオール
(1R,2S,3aS,3bR,9bS,11aS)-2-エチル-7-メトキシ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,2-ジオール
(1R,2S,3aS,3bR,9bS,11aS)-2-ethyl-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2-diol
Other name (1):
3-Methoxy-16-ethylestra-1,3,5(10)-triene-16β,17β-diol
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